CAS RN: 388082-77-7

Lapatinib ditosylate

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8 package records7 with current stock1 grade group
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Batchno.20250415 100mg In stock Shanghai Inquiry
Batchno.20250704 10mg In stock Shanghai Inquiry
Batchno.20250124 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250303 1mg In stock Shanghai Inquiry
Batchno.20250115 250mg In stock Shanghai Inquiry
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Batchno.20260119 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: LINL843988
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388082-77-7 / N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;bis(4-methylbenzenesulfonic acid)

Standard CAS: 388082-77-7 Multi CAS: Yes

Basic Information

CAS
388082-77-7
Multi CAS
Yes
Molecular Formula
C43H42CLFN4O10S3
Molecular Weight
925.500000
Exact Mass
924.173563
InChI
InChI=1S/C29H26ClFN4O4S.2C7H8O3S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10)
InChIKey
UWYXLGUQQFPJRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Aromatic heavy atom count
39
Fraction Csp3
0.16
Rotatable bonds
13
H-bond acceptors
12
H-bond donors
4
Molar refractivity
236.11
TPSA
215.09

LogP / Solubility

WLOGP
8.62
MLOGP
7.67
XLogP3
8.62
Consensus LogP
8.3
Log S (ESOL)
-10.62
Class (ESOL)
Insoluble
Log S (Ali)
-13.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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